SCHEMBL5449557

SCHEMBL5449557

CCCOc1ccc(Br)c2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
PLA2G1B P04054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5441946 0.97 KDM4E (0.45) KDM4EALDH1A1POLBHTTTSHR
SCHEMBL5833297 0.80 HTR7 (0.54) KDM4EALDH1A1SMN1; SMN2NOS3NOS1
Dimethylamine SCHEMBL5833299 0.78 KDM4E (0.40) KDM4EALDH1A1POLBTSHRLMNA
SCHEMBL29320840 0.76 KDM4E (0.39) KDM4EALDH1A1TSHRLMNAMEN1
SCHEMBL13274500 0.76 KDM4E (0.53) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL5445704 0.76 ALDH1A1 (0.45) KDM4EALDH1A1POLBHTTTSHR
SCHEMBL5456652 0.72 RXRA (0.50) RXRARXRBRXRGADRA2A
SCHEMBL5457961 0.72 ALDH1A1 (0.45) KDM4EALDH1A1POLBHTTTSHR
SCHEMBL11398711 0.72 HPGD (0.44) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL6169404 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 KDM4E 3443/4885ALDH1A1 1198/4885POLB 4499/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.